Open AccessSpectroscopic parameters and potential energy function of the ground state of ArH
Author(s) -
Zhu Ji-Liang,
Tong Ren,
Wang Qing-Mei
Publication year - 2009
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.58.1544
Subject(s) - ground state , statics , potential energy , atomic physics , dissociation (chemistry) , bond dissociation energy , physics , chemistry , quantum mechanics
The structure and dissociation energy of the ground state of ArH+ are calculated using QCISDT/ Aug-CC-pVTZ method. Based on the theory of atomic and molecular staticsthe reasonable dissociation limit for the ground state 1Σ+ of ArH+ is derived. The potential energy curve and relevant optical constants of this state are obtained by least square fitting to the Murrell-Sorbie function. All calculation results are in good agreement with the experimental data.